2-Cyano-N-(4-fluorophenyl)acetamide
Inhibitor information
- CovInDB Inhibitor
- CI000133
- Name
- 2-Cyano-N-(4-fluorophenyl)acetamide
- Molecular Formula
- C9H7FN2O
- Molecular Weight
- 178.16 g/mol
- Structure
-
- IUPAC Name
- 2-cyano-N-(4-fluorophenyl)acetamide
- InChI
- InChI=1S/C9H7FN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)
- InChI Key
- GZWVZXOFWQGSRB-UHFFFAOYSA-N
- Canonical SMILES
- N#CCC(=O)Nc1ccc(F)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
178.16 g/mol
Computed by RDKit
- logP
-
1.43
Computed by ALOGPS
- logS
-
-3.02
Computed by ALOGPS
- Heavy Atom Count
-
13
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
2
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
2
Computed by RDKit
- Topological Polar Surface Area
-
52.89 Å2
Computed by RDKit
3D Structure
Show Warhead
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
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